X-ray facility
Users within the TU Graz, as well as external users, are welcome to use the facility!
Instrumentation
The laboratory houses a Bruker Smart APEX area detector diffractometer running a molybdenum sealed-tube source. It is equipped with a Kryoflex low temperature cooling unit for routine data collection at temperatures as low as 90 K (standard is 100 K). Any small molecule can be analyzed. Funding for the instrumentation was provided for by the FWF (Fonds zur Förderung der wissenschaftlichen Forschung).
Bruker Smart Apex area diffractometer with a Kryoflex low temperature cooling unit.
X-ray facility service
Final information will include the following:
- Table of information on X-ray diffraction experiment, including unit cell, space group, reflections collected, agreement indices etc.
- Table of atomic coordinates.
- Table of bond lengths.
- Table of anisotropic displacement parameters.
- Table of positions of hydrogen atoms.
- Illustration of molecular geometry. Other information - torsional angles, least-squares planes, packing of molecules in the crystal - may be obtained upon request. Size of crystals required - ideally about 0.3 mm in all three dimensions for a typical organic compound; smaller for crystals containing heavier elements.
- Crystallographic Information File (CIF)
- CD with all data.
Manuscript Preparation
All manuscripts dealing with crystal structures determined in this lab should be sent to the lab staff member that performed the analysis so that the details of the crystallographic study can be verify and an appropriate Crystallographic Information File, cif, to be deposited for or submitted with the manuscript can be prepared. Please allow the staff member at least 3 business days to proof read the manuscript and prepare the cif.
Funding Acknowledgements
In all publications and presentations that include results from this lab, please acknowledge funds from the FWF START project Y-120 to purchase the diffractometer. Also, please send the lab director a copy of all publications that include structural results from the Crystallography Lab.
Contact Information
Requests concerning small molecule crystallography should be addressed to:
Judith Baumgartner
Anorganische Chemie
TU Graz
Stremayrgasse 9
8010 Graz
Austria
(++43-316)-873-32112 office
(++43-316)-873-32181 lab